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. Author manuscript; available in PMC: 2018 May 2.
Published in final edited form as: J Chem Theory Comput. 2017 Sep 1;13(9):4492–4503. doi: 10.1021/acs.jctc.7b00521

Table 3.

Number distribution of the extracted clusters (9 molecules, 11 molecules and 13 molecules) from different liquid MD systems.

MD simulations 9 methanol 11 methanol 13 methanol
ρ = 0.933 g/ml, T = 193.15 K, p = 1.000 atm 372 157 94
ρ = 0.794 g/ml, T = 293.15 K, p = 1.200 atm 502 N/A N/A
ρ = 0.627 g/ml, T = 393.15 K, p = 6.293 atm 125 N/A N/A